N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide

C26H23Cl2FN4O — CID 44534280

IUPACN-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1
InChIInChI=1S/C26H23Cl2FN4O/c27-20-13-23-24(14-21(20)28)32-25(31-23)19-7-6-17(12-22(19)29)26(34)30-18-8-10-33(11-9-18)15-16-4-2-1-3-5-16/h1-7,12-14,18H,8-11,15H2,(H,30,34)(H,31,32)
InChIKeyGVPAKFSECRAWAN-UHFFFAOYSA-N
MW497.40 g/mol
LogP6.07
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide

N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide (PubChem CID 44534280) has the molecular formula C26H23Cl2FN4O and a molecular weight of 497.40 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide
PubChem CID44534280
Molecular FormulaC26H23Cl2FN4O
Molecular Weight497.40 g/mol
Exact Mass496.12
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1
InChIInChI=1S/C26H23Cl2FN4O/c27-20-13-23-24(14-21(20)28)32-25(31-23)19-7-6-17(12-22(19)29)26(34)30-18-8-10-33(11-9-18)15-16-4-2-1-3-5-16/h1-7,12-14,18H,8-11,15H2,(H,30,34)(H,31,32)
InChIKeyGVPAKFSECRAWAN-UHFFFAOYSA-N
XLogP6.07
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.40
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide
CID 3429810
2-[2-[5,6-Dichloro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]isoindole-1,3-dione
CID 11846519
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide
CID 732397
6-chloro-2-[1-(propan-2-yl)piperidin-4-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190743
N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-4-(1H-imidazol-2-yl)-benzamide
CID 11442772
2-Amino-N-{(2S,3S)-3-(biphenyl-4-yl)-1-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl}-2-methylpropanamide
CID 49783052
(2S,3S)-2-[(2-amino-2-methylpropanoyl)amino]-N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(4-phenylphenyl)butanamide
CID 57334109
(2S)-2-[(2-amino-2-methylpropyl)amino]-N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-(4-phenylphenyl)propanamide
CID 57396167
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3,4-difluorobenzamide
CID 155547150
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-2-fluorobenzamide
CID 155560783
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3-chlorophenyl)methanone
CID 1430052
N-{2-[1-(2-chlorobenzyl)-1H-benzimidazol-2-yl]ethyl}-3-methylbenzamide
CID 1293046

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide (CID 44534280) is N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide?
The InChIKey is GVPAKFSECRAWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2FN4O/c27-20-13-23-24(14-21(20)28)32-25(31-23)19-7-6-17(12-22(19)29)26(34)30-18-8-10-33(11-9-18)15-16-4-2-1-3-5-16/h1-7,12-14,18H,8-11,15H2,(H,30,34)(H,31,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide?
N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide has a molecular weight of 497.40 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 44534280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).